Ethanol → HCID 178421383, compound
Reaction equation
[CH2:10]([CH:11]=[CH2:12])[O:13][CH:14]1[CH2:15][CH:16]2[CH2:17][CH2:18][CH:19]3[C:20]4([OH:38])[CH2:21][CH2:22][CH:23]([c:33]5[cH:34][o:35][cH:36][cH:37]5)[C:24]4([CH3:25])[CH2:26][CH2:27][CH:28]3[C:29]2([CH3:32])[CH2:30][CH2:31]1.[CH3:48][CH2:49][OH:50].[CH:1]12[CH2:2][CH2:3][CH2:4][CH:5]([BH:6]1)[CH2:7][CH2:8][CH2:9]2.[Na+:40].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1.[OH-:39].[OH:41][OH:42]>>[CH2:10]([CH2:11][CH2:12][OH:39])[O:13][CH:14]1[CH2:15][CH:16]2[CH2:17][CH2:18][CH:19]3[C:20]4([OH:38])[CH2:21][CH2:22][CH:23]([c:33]5[cH:34][o:35][cH:36][cH:37]5)[C:24]4([CH3:25])[CH2:26][CH2:27][CH:28]3[C:29]2([CH3:32])[CH2:30][CH2:31]1Participants
8
Sources & evidence
- ORD record
- ord-12ce1cc25adb43e99929a5e9233b315e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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